Whitlockite
Hughes J M, Jolliff B L, Rakovan J
American Mineralogist 93 (2008) 1300-1305
The crystal chemistry of whitlockite and merrillite and the
dehydrogenation of whitlockite to merrillite
Locality: synthetic
Note: Standard temperature and pressure
_database_code_amcsd 0004624
10.3571 10.3571 37.138 90 90 120 R3c
atom         x      y      z  occ   Uiso
CaIIB1  .28103 .14681 .56524      .01046
CaIIB2  .38774 .18010 .76772      .01083
CaIB    .29481 .15772 .67220      .02000
CaIIA'       0      0   .785 .060    .21
Mg           0      0      0 .921  .0086
Fe           0      0      0 .079  .0086
PB1     .31784 .14377 .86425      .00902
PB2     .35115 .15823 .96727      .00883
OIB1    .27767 .09381 .82512       .0179
OIIB1   .24695 .23366 .87756       .0145
OIIB3   .27216 .00147 .88632       .0118
OIIB5   .48960 .24229 .86891       .0146
OIIB2   .39967 .04862 .95375       .0141
OIIB4   .41517 .30397 .94640       .0158
OIIB6   .17978 .07952 .96382       .0126
OIB2    .40528 .19756 .00669       .0149
OHIA         0      0 .79590 .870  .0259
PA           0      0 .75349 .943  .0112
PA'          0      0  .7305 .057   .001
OIA'         0      0  .6889 .130   .049
OIIA'  -.02053 .12951 .74144       .0172